SCHEMBL6435489

SCHEMBL6435489

CC(C)(C)OC(=O)Nc1cc(N2CCOCC2)c(C(F)(F)F)cc1NC(=O)CC(=O)c1ccnc(C#N)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 1/20 0.41
JAK2 O60674 1/20 0.40
JAK3 P52333 1/20 0.40
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 3/20 0.38
RAF1 P04049 5/20 0.38
BRAF P15056 5/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 2/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 2/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6163340 0.93 SCN10A (0.37) THRBSMN1; SMN2JAK3MAPTNPSR1
SCHEMBL6165622 0.93 SCN10A (0.39) SMN1; SMN2JAK3MAPTNPSR1
SCHEMBL6435938 0.91 KDR (0.34) THRBLMNAJAK2JAK3
SCHEMBL7046359 0.90 KDM4E (0.44) THRBSMN1; SMN2KDM4ELMNAJAK2
SCHEMBL6435476 0.84 KDR (0.36)
SCHEMBL5562672 0.83 SCN9A (0.43) KDM4ERAF1BRAFTSHRHPGD
SCHEMBL6165337 0.83 MAPT (0.37) JAK3KMT2AALDH1A1MAPTTSHR
SCHEMBL6434527 0.83 AAK1 (0.38) KMT2A
SCHEMBL6163566 0.82 KDR (0.35) LMNA
SCHEMBL6163857 0.82 AAK1 (0.40)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1379522-B1 DIHYDRO-BENZO(b)(1,4)DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS I HOFFMANN LA ROCHE (CH) 2005-01-26 EP disclosed
US-6548495-B2 Metabotropic glutamate receptor agonist for treatment or prevention of acute and/or chronic neurological disorders HOFFMANN-LA ROCHE INC. 2003-04-15 US disclosed
US-20020198197-A1 Dihydro-benzo [b] [1,4] diazepin-2-one derivatives HOFFMANN-LA ROCHE INC. 2002-12-26 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020198197-A1 Dihydro-benzo [b] [1,4] diazepin-2-one derivatives BDKRB1, BDKRB2, GRIN1 THRB 2773/4885SMN1; SMN2 306/4885KDM4E 1334/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.